4-2,8-bis(4-methoxyphenyl)-6-(4-methylpiperidin-1-yl)imidazo[1,2-a]pyridine

ID: ALA4241321

Chembl Id: CHEMBL4241321

PubChem CID: 145985472

Max Phase: Preclinical

Molecular Formula: C27H29N3O2

Molecular Weight: 427.55

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  COc1ccc(-c2cn3cc(N4CCC(C)CC4)cc(-c4ccc(OC)cc4)c3n2)cc1

Standard InChI:  InChI=1S/C27H29N3O2/c1-19-12-14-29(15-13-19)22-16-25(20-4-8-23(31-2)9-5-20)27-28-26(18-30(27)17-22)21-6-10-24(32-3)11-7-21/h4-11,16-19H,12-15H2,1-3H3

Standard InChI Key:  MCUUOBZJMYTMGY-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA4241321

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Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Small molecule

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 427.55

Molecular Weight (Monoisotopic): 427.2260

AlogP: 5.92

#Rotatable Bonds: 5

Polar Surface Area: 39.00

Molecular Species: NEUTRAL

HBA: 5

HBD: ┄

#RO5 Violations: 1

HBA (Lipinski): 5

HBD (Lipinski): ┄

#RO5 Violations (Lipinski): 1

CX Acidic pKa: ┄

CX Basic pKa: 6.15

CX LogP: 5.37

CX LogD: 5.35

Aromatic Rings: 4

Heavy Atoms: 32

QED Weighted: 0.40

Np Likeness Score: -0.83

References

1. Güçlü D, Kuzu B, Tozlu İ, Taşpınar F, Canpınar H, Taşpınar M, Menges N..  (2018)  Synthesis of novel imidazopyridines and their biological evaluation as potent anticancer agents: A promising candidate for glioblastoma.,  28  (15): [PMID:30042044] [10.1016/j.bmcl.2018.06.033]

Source

Source(1):

• Scientific Literature